2,7,15,17-Tetrahydroxy-5-methoxy-11-methyl-10,19-dioxatricyclo[14.2.1.03,8]nonadeca-3(8),4,6-trien-9-one

Details

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Internal ID 0ff33fc9-97e8-4ecd-b5bb-94c06f750bad
Taxonomy Benzenoids > Phenol ethers > Anisoles
IUPAC Name 2,7,15,17-tetrahydroxy-5-methoxy-11-methyl-10,19-dioxatricyclo[14.2.1.03,8]nonadeca-3(8),4,6-trien-9-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H26O8/c1-9-4-3-5-12(20)18-14(22)8-15(27-18)17(23)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h6-7,9,12,14-15,17-18,20-23H,3-5,8H2,1-2H3
InChI Key YDFXVMNZAQKLKM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H26O8
Molecular Weight 382.40 g/mol
Exact Mass 382.16276778 g/mol
Topological Polar Surface Area (TPSA) 126.00 Ų
XlogP 1.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,7,15,17-Tetrahydroxy-5-methoxy-11-methyl-10,19-dioxatricyclo[14.2.1.03,8]nonadeca-3(8),4,6-trien-9-one

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 99.23% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.54% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.48% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.81% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.43% 96.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.58% 99.15%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 91.19% 91.07%
CHEMBL2581 P07339 Cathepsin D 91.02% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.85% 99.23%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 89.78% 82.67%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 88.96% 92.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.36% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.49% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.05% 92.94%
CHEMBL226 P30542 Adenosine A1 receptor 85.32% 95.93%
CHEMBL4208 P20618 Proteasome component C5 85.30% 90.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 84.03% 97.14%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.18% 89.00%
CHEMBL340 P08684 Cytochrome P450 3A4 82.96% 91.19%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.52% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.73% 94.45%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 78149076
LOTUS LTS0076751
wikiData Q104201587